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ColabFit
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https://colabfit.org/
colabfit
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13
AI & ML interests
Development of data-driven interatomic potentials (DDIP/MLIP)
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4
colabfit
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465
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colabfit/Co_dimer_JPCA_2022
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Updated
Nov 18, 2025
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4.32k
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2
colabfit/water_ice_JCP_2020
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Nov 18, 2025
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16.8k
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colabfit/3BPA_test_1200K
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Nov 18, 2025
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2.14k
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colabfit/3BPA_test_600K
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Nov 18, 2025
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2.14k
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colabfit/reactive_hydrogen_ACS_2023
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Nov 18, 2025
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6.83k
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colabfit/HO_LiMoNiTi_NPJCM_2020_bulk_water_validation
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Nov 18, 2025
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2.11k
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colabfit/TiO2_CMS2016
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Nov 18, 2025
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7.81k
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colabfit/aC_JCP_2023_test
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Nov 18, 2025
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3.37k
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colabfit/COHInPt_schaaf_2023
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Nov 18, 2025
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3.99k
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colabfit/HO_LiMoNiTi_NPJCM_2020_water_clusters
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Nov 18, 2025
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1.85k
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colabfit/Si_JCP_2017
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Nov 18, 2025
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1.12k
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colabfit/JARVIS_DFT_2D_3_12_2021
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Nov 18, 2025
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930
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colabfit/ANI-1
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Nov 18, 2025
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32.1M
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colabfit/ANI-2x-wB97X-631Gd
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Nov 18, 2025
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18.8M
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colabfit/ANI-2x-wB97MV-def2TZVPP
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Nov 18, 2025
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18.8M
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colabfit/ANI-2x-wB97MD3BJ-def2TZVPP
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Nov 18, 2025
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18.8M
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colabfit/ANI-2x-B973c-def2mTZVP
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Nov 18, 2025
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18.7M
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colabfit/OC22-S2EF-Train
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Nov 18, 2025
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7.69M
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colabfit/OC22-IS2RE-Train
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Nov 18, 2025
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7.24M
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colabfit/ANI-1x
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Nov 18, 2025
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309k
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colabfit/solvated_protein_fragments_JCTC_2019
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Nov 18, 2025
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2M
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colabfit/OrbNet_Denali
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Nov 18, 2025
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2M
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colabfit/Chig-AIMD_scaffold_train
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Nov 18, 2025
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1
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colabfit/Chig-AIMD_random_train
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Nov 18, 2025
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1
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colabfit/rMD17
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Nov 18, 2025
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2M
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colabfit/JARVIS_OQMD_no_CFID
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Nov 18, 2025
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812k
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colabfit/ISO17_NC_2017
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Nov 18, 2025
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641k
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colabfit/OC22-IS2RE-Validation-out-of-domain
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Nov 18, 2025
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521k
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colabfit/JARVIS_Open_Catalyst_All
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Nov 18, 2025
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485k
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colabfit/JARVIS_CFID_OQMD
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Nov 18, 2025
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362k
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